# generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64990617
_cell_length_b   4.89218248
_cell_length_c   5.98867822
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSe2
_chemical_formula_sum   'Ni2 Se4'
_cell_volume   106.93388033
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  -0.00000000  0.00000000  1.0
  Se  Se2  1  0.50000000  0.29386020  0.87689846  1.0
  Se  Se3  1  0.50000000  0.70613980  0.12310154  1.0
  Se  Se4  1  0.00000000  0.20613980  0.37689846  1.0
  Se  Se5  1  -0.00000000  0.79386020  0.62310154  1.0